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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-(4-chloro-3-fluoro-phen N'-[[(3aS,6aS)-2,3,4,5,6,6a-hexa…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENV-1-V Envelope Glycoprotein Gp160 (cluster #1 Of 2), Viral Viruses 3100 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENV_HV1Y2 P35961 Envelope Glycoprotein Gp160, Hv1y2 3100 0.34 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 4.34 -47.51 4 5 1 75 340.806 4 ↓
Hi High (pH 8-9.5) 2.17 3.53 -67.13 3 5 0 81 339.798 4 ↓

Analogs

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Popular Name: N'-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-(4-chloro-3-fluoro-phen N'-[[(3aR,6aS)-2,3,4,5,6,6a-hexa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 4.21 -46.92 4 5 1 75 340.806 4 ↓
Hi High (pH 8-9.5) 2.17 3.39 -65.87 3 5 0 81 339.798 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-(4-chloro-3-fluoro-phen N'-[[(3aS,6aR)-2,3,4,5,6,6a-hexa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 4.21 -47.31 4 5 1 75 340.806 4 ↓
Hi High (pH 8-9.5) 2.17 3.39 -63.76 3 5 0 81 339.798 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-(4-chloro-3-fluoro-phen N'-[[(3aR,6aR)-2,3,4,5,6,6a-hexa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 4.34 -46.59 4 5 1 75 340.806 4 ↓
Hi High (pH 8-9.5) 2.17 3.53 -66.16 3 5 0 81 339.798 4 ↓

Analogs

6487133
6487133
6491701
6491701

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4-dicarboxylic (3S,3aR,4S,6aR)-1,2,3,3a,4,5,6,6…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-3-O Glutamate NMDA Receptor (cluster #3 Of 7), Other Other 2900 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 2900 0.55 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.50 3.15 -103.16 2 5 -1 97 198.198 2 ↓

Analogs

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Popular Name: 2-benzyloctahydrocyclopenta[c]pyrrol-4-ylamine 2-benzyloctahydrocyclopenta[c]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 6.38 -108.44 4 2 2 32 218.344 2 ↓

Analogs

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Popular Name: 2-Benzyloctahydrocyclopenta[c]pyrrol-4-amine 2-Benzyloctahydrocyclopenta[c]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 6.65 -112.2 4 2 2 32 218.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzyloctahydrocyclopenta[c]pyrrol-4-ylamine 2-benzyloctahydrocyclopenta[c]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 6.44 -106.7 4 2 2 32 218.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Benzyloctahydrocyclopenta[c]pyrrol-4-amine 2-Benzyloctahydrocyclopenta[c]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 6.26 -106.03 4 2 2 32 218.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aR,6S,6aS)-2-(2-ethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dichloro-b N-[(3aR,6S,6aS)-2-(2-ethylbutyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.56 12.32 -42.28 2 3 1 34 384.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,6S,6aS)-2-(2-ethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dichloro-b N-[(3aS,6S,6aS)-2-(2-ethylbutyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.56 11.61 -45.99 2 3 1 34 384.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aR,6S,6aS)-2-isopentyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dichloro-benzam N-[(3aR,6S,6aS)-2-isopentyl-3,3a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.09 11.68 -40.92 2 3 1 34 370.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,6S,6aS)-2-isopentyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dichloro-benzam N-[(3aS,6S,6aS)-2-isopentyl-3,3a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.09 11.07 -46.35 2 3 1 34 370.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aR,6S,6aS)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-2,4-dichl N-[(3aR,6S,6aS)-2-(3,3-dimethylb…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.41 12.07 -44.38 2 3 1 34 384.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,6S,6aS)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-2,4-dichl N-[(3aS,6S,6aS)-2-(3,3-dimethylb…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.41 11.43 -50.72 2 3 1 34 384.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aR,6S,6aS)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dichl N-[(3aR,6S,6aS)-2-(3,3-dimethylb…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.41 12.07 -41.25 2 3 1 34 384.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,6S,6aS)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dichl N-[(3aS,6S,6aS)-2-(3,3-dimethylb…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.41 11.45 -46.89 2 3 1 34 384.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aR,6S,6aS)-2-[(2R)-2-methylbutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dich N-[(3aR,6S,6aS)-2-[(2R)-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.06 11.72 -39.98 2 3 1 34 370.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aR,6S,6aS)-2-[(2S)-2-methylbutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-3,5-dich N-[(3aR,6S,6aS)-2-[(2S)-2-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.06 11.73 -40.18 2 3 1 34 370.344 5 ↓

Analogs

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Popular Name: N-[(3aR,6S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-2,4-dichloro-benzamide N-[(3aR,6S,6aS)-2-benzyl-3,3a,4,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 12.59 -45.56 2 3 1 34 390.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,6S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-yl]-2,4-dichloro-benzamide N-[(3aS,6S,6aS)-2-benzyl-3,3a,4,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.94 -51.85 2 3 1 34 390.334 4 ↓

Parameters Provided:

ring.id = 34796
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 34796 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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